Search results for: energy anomaly detection
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 11818

Search results for: energy anomaly detection

6808 Theoretical Analysis and Numerical Evaluation of the Flow inside the Supersonic Nozzle for Chemical Lasers

Authors: Mohammedi Ferhate, Hakim Chadli, Laggoun Chaouki

Abstract:

The main objectives of work in this area are, first, obtaining the high laser energies in short time durations needed for the feasibility studies of laser induced thermodynamically exothermic chemical reactions , second, investigating the physical principles that can be used to make laser sources capable of delivering high average powers. We note that, in order to reach both objectives, one has to convert electrical or chemical energy into laser energy, using dense gaseous media.. We present results from the early development of an F atom source appropriate for HF and DF chemical laser research. We next explain the very important difficulties encountered in working with dense gases for that purpose, and we shall describe how, especially at Evaluation of downstream-mixing scheme –levels transitions (001) → (100) and (001) → (020) gas dynamic laser The physical phenomena that control the operation of presently existing laser devices are now sufficiently well understood, so that it is possible to predict that new generations of lasers could be designed in the future. The proposed model of excitation and relaxation levels was finally proved by the computational numerical code of Matlab toolboxes of different parameters of nozzle.

Keywords: hydrogen, combust, chemical laser, halogen atom

Procedia PDF Downloads 89
6807 Body Fluids Identification by Raman Spectroscopy and Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

Authors: Huixia Shi, Can Hu, Jun Zhu, Hongling Guo, Haiyan Li, Hongyan Du

Abstract:

The identification of human body fluids during forensic investigations is a critical step to determine key details, and present strong evidence to testify criminal in a case. With the popularity of DNA and improved detection technology, the potential question must be revolved that whether the suspect’s DNA derived from saliva or semen, menstrual or peripheral blood, how to identify the red substance or aged blood traces on the spot is blood; How to determine who contribute the right one in mixed stains. In recent years, molecular approaches have been developing increasingly on mRNA, miRNA, DNA methylation and microbial markers, but appear expensive, time-consuming, and destructive disadvantages. Physicochemical methods are utilized frequently such us scanning electron microscopy/energy spectroscopy and X-ray fluorescence and so on, but results only showing one or two characteristics of body fluid itself and that out of working in unknown or mixed body fluid stains. This paper focuses on using chemistry methods Raman spectroscopy and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry to discriminate species of peripheral blood, menstrual blood, semen, saliva, vaginal secretions, urine or sweat. Firstly, non-destructive, confirmatory, convenient and fast Raman spectroscopy method combined with more accurate matrix-assisted laser desorption/ionization time-of-flight mass spectrometry method can totally distinguish one from other body fluids. Secondly, 11 spectral signatures and specific metabolic molecules have been obtained by analysis results after 70 samples detected. Thirdly, Raman results showed peripheral and menstrual blood, saliva and vaginal have highly similar spectroscopic features. Advanced statistical analysis of the multiple Raman spectra must be requested to classify one to another. On the other hand, it seems that the lactic acid can differentiate peripheral and menstrual blood detected by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry, but that is not a specific metabolic molecule, more sensitivity ones will be analyzed in a forward study. These results demonstrate the great potential of the developed chemistry methods for forensic applications, although more work is needed for method validation.

Keywords: body fluids, identification, Raman spectroscopy, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

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6806 Atmospheric Fluid Bed Gasification of Different Biomass Fuels

Authors: Martin Lisý, Marek Baláš, Michal Špiláček, Zdeněk Skála

Abstract:

This paper shortly describes biomass types and growing amount in the Czech Republic. The considerable part of this paper deals with energy parameters of the most frequent utilizing biomass types and results of their gasification testing. There was chosen sixteen the most exploited "Czech" woody plants and grasses. There were determinated raw, element and biochemical analysis, basic calorimetric values, ash composition and ash characteristic temperatures. After that, each biofuel was tested by fluid bed gasification. The essential part of this paper yields results of chosen biomass types gasification experiments. Partly, there are described an operating conditions in detail with accentuation of individual fuels particularities partly, there is summarized gas composition and impurities content. The essential difference was determined mainly between woody plants and grasses both from point of view of the operating conditions and gas quality. The woody plants was evaluated as more suitable fuels for fluid bed gasifiers. This results will be able to significantly help with decision which energy plants are suitable for growing or with optimal biomass-treatment technology selection.

Keywords: biomass growing, biomass types, gasification, biomass fuels

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6805 Analysis of Bridge-Pile Foundation System in Multi-layered Non-Linear Soil Strata Using Energy-Based Method

Authors: Arvan Prakash Ankitha, Madasamy Arockiasamy

Abstract:

The increasing demand for adopting pile foundations in bridgeshas pointed towardsthe need to constantly improve the existing analytical techniques for better understanding of the behavior of such foundation systems. This study presents a simplistic approach using the energy-based method to assess the displacement responses of piles subjected to general loading conditions: Axial Load, Lateral Load, and a Bending Moment. The governing differential equations and the boundary conditions for a bridge pile embedded in multi-layered soil strata subjected to the general loading conditions are obtained using the Hamilton’s principle employing variational principles and minimization of energies. The soil non-linearity has been incorporated through simple constitutive relationships that account for degradation of soil moduli with increasing strain values.A simple power law based on published literature is used where the soil is assumed to be nonlinear-elastic and perfectly plastic. A Tresca yield surface is assumed to develop the soil stiffness variation with different strain levels that defines the non-linearity of the soil strata. This numerical technique has been applied to a pile foundation in a two - layered soil strata for a pier supporting the bridge and solved using the software MATLAB R2019a. The analysis yields the bridge pile displacements at any depth along the length of the pile. The results of the analysis are in good agreement with the published field data and the three-dimensional finite element analysis results performed using the software ANSYS 2019R3. The methodology can be extended to study the response of the multi-strata soil supporting group piles underneath the bridge piers.

Keywords: pile foundations, deep foundations, multilayer soil strata, energy based method

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6804 Training 'Green Ambassadors' in the Community-Action Learning Course

Authors: Friman Hen, Banner Ifaa, Shalom-Tuchin Bosmat, Einav Yulia

Abstract:

The action learning course is an academic course which involves academic learning and social activities. The courses deal with processes and social challenges, reveal different ideologies, and develop critical thinking and pragmatic ideas. Students receive course credits and a grade for being part of such courses. Participating students enroll in courses that involve action and activities to engage in the experiential learning process, thereby creating a dialogue and cross-fertilization between being taught in the classroom and experiencing the reality in the real world. A learning experience includes meeting with social organizations, institutions, and state authorities and carrying out practical work with diverse populations. Through experience, students strengthen their academic skills, formulate ethical attitudes toward reality, develop professional and civilian perspectives, and realize how they can influence their surrounding in the present and the hereafter. Under the guidance and supervision of Dr. Hen Friman, H.I.T. has built an innovative course that combines action and activities to increase the awareness and accessibility of the community in an experiential way. The end goal is to create Green Ambassadors—children with a high level of environmental awareness. This course is divided into two parts. The first part, focused on frontal teaching, delivers knowledge from extensive environmental fields to students. These areas include introduction to ecology, the process of electricity generation, air pollution, renewable energy, water economy, waste and recycling, and energy efficiency (first stage). In addition to the professional content in the environment field, students learn the method of effective and experiential teaching to younger learners (4 to 8 years old). With the attainment of knowledge, students are divided into operating groups. The second part of the course shows how the theory becomes practical and concrete. At this stage, students are asked to introduce to the first- and second-graders of ‘Revivim’ School in Holon a lesson of 90 minutes focused on presenting the issues and their importance during the course (second stage). This course is the beginning of a paradigm shift regarding energy usage in the modern society in Israel. The objective of the course is to expand worldwide and train the first and second-graders, and even pre-schoolers, in a wide scope to increase population awareness rate, both in Israel and all over the world, for a green future.

Keywords: air pollution, green ambassador, recycling, renewable energy

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6803 Microfluidic Lab on Chip Platform for the Detection of Arthritis Markers from Synovial Organ on Chip by Miniaturizing Enzyme-Linked ImmunoSorbent Assay Protocols

Authors: Laura Boschis, Elena D. Ozzello, Enzo Mastromatteo

Abstract:

Point of care diagnostic finds growing interest in medicine and agri-food because of faster intervention and prevention. EliChip is a microfluidic platform to perform Point of Care immunoenzymatic assay based on ready-to-use kits and a portable instrument to manage fluidics and read reliable quantitative results. Thanks to miniaturization, analyses are faster and more sensible than conventional ELISA. EliChip is one of the crucial assets of the Europen-founded Flamingo project for in-line measuring inflammatory markers.

Keywords: lab on chip, point of care, immunoenzymatic analysis, synovial arthritis

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6802 Determinants of Investment in Vaca Muerta, Argentina

Authors: Ivan Poza Martínez

Abstract:

The international energy landscape has been significantly affected by the Covid-19 pandemic and te conflict in Ukraine. The Vaca Muerta sedimentary formation in Argentina´s Neuquén province has become a crucial area for energy production, specifically in the shale gas ad shale oil sectors. The massive investment required for theexploitation of this reserve make it essential to understand te determinants of the investment in the upstream sector at both local ad international levels. The aim of this study is to identify the qualitative and quantitative determinants of investment in Vaca Muerta. The research methodolody employs both quantiative ( econometrics ) and qualitative approaches. A linear regression model is used to analyze the impact in non-conventional hydrocarbons. The study highlights that, in addition to quantitative factors, qualitative variables, particularly the design of a regulatory framework, significantly influence the level of the investment in Vaca Muerta. The analysis reveals the importance of attracting both domestic and foreign capital investment. This research contributes to understanding the factors influencing investment inthe Vaca Muerta regioncomapred to other published studies. It emphasizes to role of qualitative varibles, such as regulatory frameworks, in the development of the shale gas and oil sectors. The study uses a combination ofquantitative data , such a investment figures, and qualitative data, such a regulatory frameworks. The data is collected from various rpeorts and industry publications. The linear regression model is used to analyze the relationship between the variables and the investment in Vaca Muerta. The research addresses the question of what factors drive investment in the Vaca Muerta region, both from a quantitative and qualitative perspective. The study concludes that a combination of quantitative and qualitative factors, including the design of a regulatory framework, plays a significant role in attracting investment in Vaca Muerta. It highlights the importance of these determinants in the developmentof the local energy sector and the potential economic benefits for Argentina and the Southern Cone region.

Keywords: vaca muerta, FDI, shale gas, shale oil, YPF

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6801 Optimization of Mechanical Cacao Shelling Parameters Using Unroasted Cocoa Beans

Authors: Jeffrey A. Lavarias, Jessie C. Elauria, Arnold R. Elepano, Engelbert K. Peralta, Delfin C. Suministrado

Abstract:

Shelling process is one of the primary processes and critical steps in the processing of chocolate or any product that is derived from cocoa beans. It affects the quality of the cocoa nibs in terms of flavor and purity. In the Philippines, small-scale food processor cannot really compete with large scale confectionery manufacturers because of lack of available postharvest facilities that are appropriate to their level of operation. The impact of this study is to provide the needed intervention that will pave the way for cacao farmers of engaging on the advantage of value-adding as way to maximize the economic potential of cacao. Thus, provision and availability of needed postharvest machines like mechanical cacao sheller will revolutionize the current state of cacao industry in the Philippines. A mechanical cacao sheller was developed, fabricated, and evaluated to establish optimum shelling conditions such as moisture content of cocoa beans, clearance where of cocoa beans passes through the breaker section and speed of the breaking mechanism on shelling recovery, shelling efficiency, shelling rate, energy utilization and large nib recovery; To establish the optimum level of shelling parameters of the mechanical sheller. These factors were statistically analyzed using design of experiment by Box and Behnken and Response Surface Methodology (RSM). By maximizing shelling recovery, shelling efficiency, shelling rate, large nib recovery and minimizing energy utilization, the optimum shelling conditions were established at moisture content, clearance and breaker speed of 6.5%, 3 millimeters and 1300 rpm, respectively. The optimum values for shelling recovery, shelling efficiency, shelling rate, large nib recovery and minimizing energy utilization were recorded at 86.51%, 99.19%, 21.85kg/hr, 89.75%, and 542.84W, respectively. Experimental values obtained using the optimum conditions were compared with predicted values using predictive models and were found in good agreement.

Keywords: cocoa beans, optimization, RSM, shelling parameters

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6800 Multi-Criterial Analysis: Potential Regions and Height of Wind Turbines, Rio de Janeiro, Brazil

Authors: Claudio L. M. Souza, Milton Erthal, Aldo Shimoya, Elias R. Goncalves, Igor C. Rangel, Allysson R. T. Tavares, Elias G. Figueira

Abstract:

The process of choosing a region for the implementation of wind farms involves factors such as the wind regime, economic viability, land value, topography, and accessibility. This work presents results obtained by multi-criteria decision analysis, and it establishes a hierarchy, regarding the installation of wind farms, among geopolicy regions in the state of ‘Rio de Janeiro’, Brazil: ‘Regiao Norte-RN’, ‘Regiao dos Lagos-RL’ and ‘Regiao Serrana-RS’. The wind regime map indicates only these three possible regions with an average annual wind speed of above of 6.0 m/s. The method applied was the Analytical Hierarchy Process-AHP, designed to prioritize and rank the three regions based on four criteria as follows: 1) potential of the site and average wind speeds of above 6.0 ms-¹, 2) average land value, 3) distribution and interconnection to electric network with the highest number of electricity stations, and 4) accessibility with proximity and quality of highways and flat topography. The values of energy generation were calculated for wind turbines 50, 75, and 100 meters high, considering the production of site (GWh/Km²) and annual production (GWh). The weight of each criterion was attributed by six engineers and by analysis of Road Map, the Map of the Electric System, the Map of Wind Regime and the Annual Land Value Report. The results indicated that in 'RS', the demand was estimated at 2,000 GWh, so a wind farm can operate efficiently in 50 m turbines. This region is mainly mountainous with difficult access and lower land value. With respect to ‘RL’, the wind turbines have to be installed at a height of 75 m high to reach a demand of 6,300 GWh. This region is very flat, with easy access, and low land value. Finally, the ‘NR’ was evaluated as very flat and with expensive lands. In this case, wind turbines with 100 m can reach an annual production of 19,000 GWh. In this Region, the coast area was classified as of greater logistic, productivity and economic potential.

Keywords: AHP, renewable energy, wind energy

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6799 Condition Monitoring of a 3-Ø Induction Motor by Vibration Spectrum Analysis Using FFT Analyzer- a Case Study

Authors: Adi Narayana S Sudhakar. I

Abstract:

Energy conversion is one of the inevitable parts of any industries. It involves either conversion of mechanical energy in to electrical or vice versa. The later conversion of energy i.e. electrical to mechanical emphasizes the need of motor .Statistics reveals, about 8 % of industries’ annual turnover met on maintenance. Thus substantial numbers of efforts are required to minimize in incurring expenditure met towards break down maintenance. Condition monitoring is one of such techniques based on vibration widely used to recognize premature failures and paves a way to minimize cumbersome involved during breakdown of machinery. The present investigation involves a case study of squirrel cage induction motor (frequently in the electro machines) has been chosen for the conditional monitoring to predict its soundness on the basis of results of FFT analyser. Accelerometer which measures the acceleration converts in to impulses by FFT analyser generates vibration spectrum and time spectrum has been located at various positions on motor under different conditions. Results obtained from the FFT analyzer are compared to that of ISO standard vibration severity charts are taken to predict the preventative condition of considered machinery. Initial inspection of motor revealed that stator faults, broken end rings in rotor, eccentricity faults and misalignment between bearings are trouble shootings areas for present investigation. From the results of the shaft frequencies, it can be perceived that there is a misalignment between the bearings at both the ends. The higher order harmonics of FTF shows the presence of cracks on the race of the bearings at both the ends which are in the incipient stage. Replacement of the bearings at both the drive end (6306) and non-drive end (6206) and the alignment check between the bearings in the shaft are suggested as the constructive measures towards preventive maintenance of considered squirrel cage induction motor.

Keywords: FFT analyser, condition monitoring, vibration spectrum, time spectrum accelerometer

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6798 Seismic Behavior of Three-Dimensional Steel Buildings with Post-Tensioned Connections

Authors: Manuel E. Soto-López, Israel Gaxiola-Avendaño, Alfredo Reyes-Salazar, Eden Bojórquez, Sonia E. Ruiz

Abstract:

The seismic responses of steel buildings with semi-rigid post-tensioned connections (PC) are estimated and compared with those of steel buildings with typical rigid (welded) connections (RC). The comparison is made in terms of global and local response parameters. The results indicate that the seismic responses in terms of interstory shears, roof displacements, axial load and bending moments are smaller for the buildings with PC connection. The difference is larger for global than for local parameters, which in turn varies from one column location to another. The reason for this improved behavior is that the buildings with PC dissipate more hysteretic energy than those with RC. In addition, unlike the case of buildings with WC, for the PC structures the hysteretic energy is mostly dissipated at the connections, which implies that structural damage in beams and columns is not significant. According to this results, steel buildings with PC are a viable option in highseismicity areas because of their smaller response and self-centering connection capacity as well as the fact that brittle failure is avoided.

Keywords: inter-story drift, nonlinear time-history analysis, post-tensioned connections, steel buildings

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6797 Evaluation of Thermal Comfort and Energy Consumption in Classroom

Authors: I. Kadek Candra Parmana Wiguna, Wiwik Budiawan, Heru Prastawa

Abstract:

Semarang has become not only a metropolitan city but also a centre of government that has experienced significant changes in urban land use. Temperature increases in urban areas result from the expansion of development. The average temperature in Semarang reached 27.10°C to 29.60°C in 2022. The state of thermal sensation is very dependent on the mode of operation; Industrial Engineering building is mostly equipped with an air conditioner (AC). This study aims to analyze the thermal comfort level and energy consumption of air conditioners in classroom of industrial engineering. Participants in this study amounted to 31 students with data collection for 4 weeks. Results of the physical environment are Ta in: 25.52°C, Ta out: 32.71 °C, Rh in: 61.14%, Rh out: 59.43%, and Av in: 0.037 m/s. The results of clothing insulation are 41% of the respondents belonged to the categories 0.31 - 0.5 clo (summer domming) and 0.51 - 0.70 clo (spring clothing). Regarding the predicted mean vote (PMV), the average value is 0.63, and only 14.85% result of the predicted percentage dissatisfied (PPD). The neutral temperature with measurement Griffith’s constant 0.5/°C was 27.16°C, but the statistical test results show that the comfort temperature to use TSV ≤ 0 which is 28.55°C. The highest average power (watt) measurement results during week 3, which is 1613.65 watts. It is concluded in this study that the thermal comfort conditions in the classroom are adequate and acceptable to more than 90% of respondents.

Keywords: thermal comfort, PMV/PPD, air conditioner, TSV

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6796 A Model of the Universe without Expansion of Space

Authors: Jia-Chao Wang

Abstract:

A model of the universe without invoking space expansion is proposed to explain the observed redshift-distance relation and the cosmic microwave background radiation (CMB). The main hypothesized feature of the model is that photons traveling in space interact with the CMB photon gas. This interaction causes the photons to gradually lose energy through dissipation and, therefore, experience redshift. The interaction also causes some of the photons to be scattered off their track toward an observer and, therefore, results in beam intensity attenuation. As observed, the CMB exists everywhere in space and its photon density is relatively high (about 410 per cm³). The small average energy of the CMB photons (about 6.3×10⁻⁴ eV) can reduce the energies of traveling photons gradually and will not alter their momenta drastically as in, for example, Compton scattering, to totally blur the images of distant objects. An object moving through a thermalized photon gas, such as the CMB, experiences a drag. The cause is that the object sees a blue shifted photon gas along the direction of motion and a redshifted one in the opposite direction. An example of this effect can be the observed CMB dipole: The earth travels at about 368 km/s (600 km/s) relative to the CMB. In the all-sky map from the COBE satellite, radiation in the Earth's direction of motion appears 0.35 mK hotter than the average temperature, 2.725 K, while radiation on the opposite side of the sky is 0.35 mK colder. The pressure of a thermalized photon gas is given by Pγ = Eγ/3 = αT⁴/3, where Eγ is the energy density of the photon gas and α is the Stefan-Boltzmann constant. The observed CMB dipole, therefore, implies a pressure difference between the two sides of the earth and results in a CMB drag on the earth. By plugging in suitable estimates of quantities involved, such as the cross section of the earth and the temperatures on the two sides, this drag can be estimated to be tiny. But for a photon traveling at the speed of light, 300,000 km/s, the drag can be significant. In the present model, for the dissipation part, it is assumed that a photon traveling from a distant object toward an observer has an effective interaction cross section pushing against the pressure of the CMB photon gas. For the attenuation part, the coefficient of the typical attenuation equation is used as a parameter. The values of these two parameters are determined by fitting the 748 µ vs. z data points compiled from 643 supernova and 105 γ-ray burst observations with z values up to 8.1. The fit is as good as that obtained from the lambda cold dark matter (ΛCDM) model using online cosmological calculators and Planck 2015 results. The model can be used to interpret Hubble's constant, Olbers' paradox, the origin and blackbody nature of the CMB radiation, the broadening of supernova light curves, and the size of the observable universe.

Keywords: CMB as the lowest energy state, model of the universe, origin of CMB in a static universe, photon-CMB photon gas interaction

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6795 Effect of Damping on Performance of Magnetostrictive Vibration Energy Harvester

Authors: Mojtaba Ghodsi, Hamidreza Ziaifar, Morteza Mohammadzaheri, Payam Soltani

Abstract:

This article presents an analytical model to estimate the harvested power from a Magnetostrictive cantilevered beam with tip excitation. Furthermore, the effects of internal and external damping on harvested power are investigated. The magnetostrictive material in this harvester is Galfenol. In comparison to other popular smart materials like Terfenol-D, Galfenol has higher strength and machinability. In this article, first, a mechanical model of the Euler-Bernoulli beam is employed to calculate the deflection of the harvester. Then, the magneto-mechanical equation of Galfenol is combined with Faraday's law to calculate the generated voltage of the Magnetostrictive cantilevered beam harvester. Finally, the beam model is incorporated in the aforementioned combination. The results show that a 30×8.5×1 mm Galfenol cantilever beam harvester with 80 turn pickup coil can generate up to 3.7 mV and 9 mW. Furthermore, sensitivity analysis made by Response Surface Method (RSM) shows that the harvested power is only sensitive to the internal damping coefficient.

Keywords: internal damping coefficient, external damping coefficient, euler-bernoulli, energy harvester, galfenol, magnetostrictive, response surface method

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6794 Survey the Effects of Climate in Traditional and Modern Architecture of Iran

Authors: Yousefali Ziari, Hamidreza Joudaki

Abstract:

Humans have regularly been interacting with their environment, and have a close relation with their environment. House as a shelter which protects us against hot and cold weather and the other climatic occurrences in the environment has a close relation with climate. Before human could have access to the fossil fuels, preparing the comfort for the house was done by adjusting the building according to the climate conditions, and the help of natural resources. However after the man could access the fossil fuel, this way was forgotten, and caused much use of energy for heating & cooling. This research is trying to find some methods for designing suitable building that create comfort fitting with the zone by studying the climate condition of Arak city and as a result to find a way to reduce the use of energy and improving the design. So for the aim of this research we have used the statistics and information such as temperature, rain, wind and the approximate moisture from a period of 40 years from synoptic station of Arak. After specifying the climate of Arak by the use of effective temperature, Ulgi, Guni, Mahani and Ovenz indicator, we investigated the climate comfort conditions and the harmonious architecture with the climate and then some suggestion was given according to the climate situation of each month of the year and quality of human comfort according to this indicators.

Keywords: climate, architecture, traditional and modern architecture, comfort indicator, Arak city

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6793 Effect of Equal Channel Angular Pressing Process on Impact Property of Pure Copper

Authors: Fahad Al-Mufadi, F. Djavanroodi

Abstract:

Ultrafine grained (UFG) and nanostructured (NS) materials have experienced a rapid development during the last decade and made profound impact on every field of materials science and engineering. The present work has been undertaken to develop ultra-fine grained pure copper by severe plastic deformation method and to examine the impact property by different characterizing tools. For this aim, equal channel angular pressing die with the channel angle, outer corner angle and channel diameter of 90°, 17° and 20 mm had been designed and manufactured. Commercial pure copper billets were ECAPed up to four passes by route BC at the ambient temperature. The results indicated that there is a great improvement at the hardness measurement, yield strength and ultimate tensile strength after ECAP process. It is found that the magnitudes of HV reach 136HV from 52HV after the final pass. Also, about 285% and 125% enhancement at the YS and UTS values have been obtained after the fourth pass as compared to the as-received conditions, respectively. On the other hand, the elongation to failure and impact energy have been reduced by imposing ECAP process and pass numbers. It is needed to say that about 56% reduction in the impact energy have been attained for the samples as contrasted to annealed specimens.

Keywords: SPD, ECAP, pure cu, impact property

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6792 Working Title: Estimating the Power Output of Photovoltaics in Kuwait Using a Monte Carlo Approach

Authors: Mohammad Alshawaf, Rahmat Poudineh, Nawaf Alhajeri

Abstract:

The power generated from photovoltaic (PV) modules is non-dispatchable on demand due to the stochastic nature of solar radiation. The random variations in the measured intensity of solar irradiance are due to clouds and, in the case of arid regions, dust storms which decrease the intensity of intensity of solar irradiance. Therefore, modeling PV power output using average, maximum, or minimum solar irradiance values is inefficient to predict power generation reliably. The overall objective of this paper is to predict the power output of PV modules using Monte Carlo approach based the weather and solar conditions measured in Kuwait. Given the 250 Wp PV module used in study, the average daily power output is 1021 Wh/day. The maximum power was generated in April and the minimum power was generated in January 1187 Wh/day and 823 Wh/day respectively. The certainty of the daily predictions varies seasonally and according to the weather conditions. The output predictions were far more certain in the summer months, for example, the 80% certainty range for August is 89 Wh/day, whereas the 80% certainty range for April is 250 Wh/day.

Keywords: Monte Carlo, solar energy, variable renewable energy, Kuwait

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6791 Predicting Student Performance Based on Coding Behavior in STEAMplug

Authors: Giovanni Gonzalez Araujo, Michael Kyrilov, Angelo Kyrilov

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STEAMplug is a web-based innovative educational platform which makes teaching easier and learning more effective. It requires no setup, eliminating the barriers to entry, allowing students to focus on their learning throughreal-world development environments. The student-centric tools enable easy collaboration between peers and teachers. Analyzing user interactions with the system enables us to predict student performance and identify at-risk students, allowing early instructor intervention.

Keywords: plagiarism detection, identifying at-Risk Students, education technology, e-learning system, collaborative development, learning and teaching with technology

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6790 Spectroscopic Investigations of Nd³⁺ Doped Lithium Lead Alumino Borate Glasses for 1.06μM Laser Applications

Authors: Nisha Deopa, A. S. Rao

Abstract:

Neodymium doped lithium lead alumino borate glasses were synthesized with the molar composition 10Li₂O – 10PbO – (10-x) Al₂O₃ – 70B₂O₃ – xNd₂O₃ (where, x = 0.1, 0.5, 1.0, 1.5, 2.0 and 2.5 mol %) via conventional melt quenching technique to understand their lasing potentiality. From the absorption spectra, Judd-Ofelt intensity parameters along with various spectroscopic parameters have been estimated. The emission spectra recorded for the as-prepared glasses under investigation exhibit two emission transitions, ⁴F₃/₂→⁴I₁₁/₂ (1063 nm) and ⁴F₃/₂→⁴I₉/₂ (1350 nm) for which radiative parameters have been evaluated. The emission intensity increases with increase in Nd³⁺ ion concentration up to 1 mol %, and beyond concentration quenching took place. The decay profile shows single exponential nature for lower Nd³⁺ ions concentration and non-exponential for higher concentration. To elucidate the nature of energy transfer process, non-exponential decay curves were well fitted to Inokuti-Hirayama model. The relatively high values of emission cross-section, branching ratio, lifetimes and quantum efficiency suggest that 1.0 mol% of Nd³⁺ in LiPbAlB glasses is aptly suitable to generate lasing action in NIR region at 1063 nm.

Keywords: energy transfer, glasses, J-O parameters, photoluminescence

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6789 The IVAIRE Study: Relative Performance of Energy and Heat Recovery Ventilators in Cold Climates

Authors: D. Aubin, D. Won, H. Schleibinger, P. Lajoie, D. Gauvin, J.-M. Leclerc

Abstract:

This paper describes the results obtained in a two-year randomized intervention field study investigating the impact of ventilation rates on indoor air quality (IAQ) and the respiratory health of asthmatic children in Québec City, Canada. The focus of this article is on the comparative effectiveness of heat recovery ventilators (HRVs) and energy recovery ventilators (ERVs) at increasing ventilation rates, improving IAQ, and maintaining an acceptable indoor relative humidity (RH). In 14% of the homes, the RH was found to be too low in winter. Providing more cold and dry outside air to under-ventilated homes in winter further reduces indoor RH. Thus, low-RH homes in the intervention group were chosen to receive ERVs (instead of HRVs) to increase the ventilation rate. The installation of HRVs or ERVs led to a near doubling of the ventilation rates in the intervention group homes which led to a significant reduction in the concentration of several key of pollutants. The ERVs were also effective in maintaining an acceptable indoor RH since they avoided excessive dehumidification of the home by recovering moisture from the exhaust airstream through the enthalpy core, otherwise associated with increased cold supply air rates.

Keywords: asthma, field study, indoor air quality, ventilation

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6788 Structural, Vibrational, Magnetic, and Electronic Properties of La₂MMnO₆ Double Perovskites with M = Ni, Co, and Zn

Authors: Hamza Ouachtouk, Amine Harbi, Said Azerblou, Youssef Naimi, El Mostafa Tace

Abstract:

This study delves into the structural, vibrational, magnetic, and electronic properties of La₂MMnO₆ double perovskites, where M denotes Ni, Co, and Zn. Recognized for their versatile ionic configurations within the A and B sub-lattices, double perovskite oxides have attracted considerable interest due to their extensive array of physical properties, which include multiferroic behavior, colossal magnetoresistance, and ferroelectric/piezoelectric functionalities. These materials are pivotal for energy-related technologies like solid oxide fuel cells and water-splitting catalysis, attributed to their superior oxygen ion transport and storage capabilities. This research places particular emphasis on La₂NiMnO₆ and La₂CoMnO₆, known for their distinct magnetic, electric, and multiferroic properties, and extends the investigation to La₂ZnMnO₆, synthesized via high-temperature solid-state chemistry. This addition aims to ascertain the impact of zinc substitution on these properties. Structural analysis through X-ray diffraction has confirmed a monoclinic structure within the P2₁/n space group. Comprehensive vibrational studies utilizing infrared and Raman spectroscopy, alongside additional XRD assessments, provide a detailed examination of the dynamic and electronic behaviors of these compounds. The results underscore the significant role of chemical composition in modulating their functional properties. Comparatively, this study highlights that zinc substitution notably alters the electronic and magnetic responses, which could enhance the applicability of these materials in advanced energy technologies. This expanded analysis not only reinforces our understanding of La₂MMnO₆'s physical characteristics but also highlights its potential applications in the next generation of energy solutions.

Keywords: double perovskites, structural analysis, vibrational spectroscopy, magnetic properties, electronic properties, high-temperature solid-state chemistry, La₂MMnO₆, monoclinic structure, x-ray diffraction

Procedia PDF Downloads 62
6787 Prediction of Sepsis Illness from Patients Vital Signs Using Long Short-Term Memory Network and Dynamic Analysis

Authors: Marcio Freire Cruz, Naoaki Ono, Shigehiko Kanaya, Carlos Arthur Mattos Teixeira Cavalcante

Abstract:

The systems that record patient care information, known as Electronic Medical Record (EMR) and those that monitor vital signs of patients, such as heart rate, body temperature, and blood pressure have been extremely valuable for the effectiveness of the patient’s treatment. Several kinds of research have been using data from EMRs and vital signs of patients to predict illnesses. Among them, we highlight those that intend to predict, classify, or, at least identify patterns, of sepsis illness in patients under vital signs monitoring. Sepsis is an organic dysfunction caused by a dysregulated patient's response to an infection that affects millions of people worldwide. Early detection of sepsis is expected to provide a significant improvement in its treatment. Preceding works usually combined medical, statistical, mathematical and computational models to develop detection methods for early prediction, getting higher accuracies, and using the smallest number of variables. Among other techniques, we could find researches using survival analysis, specialist systems, machine learning and deep learning that reached great results. In our research, patients are modeled as points moving each hour in an n-dimensional space where n is the number of vital signs (variables). These points can reach a sepsis target point after some time. For now, the sepsis target point was calculated using the median of all patients’ variables on the sepsis onset. From these points, we calculate for each hour the position vector, the first derivative (velocity vector) and the second derivative (acceleration vector) of the variables to evaluate their behavior. And we construct a prediction model based on a Long Short-Term Memory (LSTM) Network, including these derivatives as explanatory variables. The accuracy of the prediction 6 hours before the time of sepsis, considering only the vital signs reached 83.24% and by including the vectors position, speed, and acceleration, we obtained 94.96%. The data are being collected from Medical Information Mart for Intensive Care (MIMIC) Database, a public database that contains vital signs, laboratory test results, observations, notes, and so on, from more than 60.000 patients.

Keywords: dynamic analysis, long short-term memory, prediction, sepsis

Procedia PDF Downloads 129
6786 Predicting Acceptance and Adoption of Renewable Energy Community solutions: The Prosumer Psychology

Authors: Francois Brambati, Daniele Ruscio, Federica Biassoni, Rebecca Hueting, Alessandra Tedeschi

Abstract:

This research, in the frame of social acceptance of renewable energies and community-based production and consumption models, aims at (1) supporting a data-driven approachable to dealing with climate change and (2) identifying & quantifying the psycho-sociological dimensions and factors that could support the transition from a technology-driven approach to a consumer-driven approach throughout the emerging “prosumer business models.” In addition to the existing Social Acceptance dimensions, this research tries to identify a purely individual psychological fourth dimension to understand processes and factors underling individual acceptance and adoption of renewable energy business models, realizing a Prosumer Acceptance Index. Questionnaire data collection has been performed throughout an online survey platform, combining standardized and ad-hoc questions adapted for the research purposes. To identify the main factors (individual/social) influencing the relation with renewable energy technology (RET) adoption, a Factorial Analysis has been conducted to identify the latent variables that are related to each other, revealing 5 latent psychological factors: Factor 1. Concern about environmental issues: global environmental issues awareness, strong beliefs and pro-environmental attitudes rising concern on environmental issues. Factor 2. Interest in energy sharing: attentiveness to solutions for local community’s collective consumption, to reduce individual environmental impact, sustainably improve the local community, and sell extra energy to the general electricity grid. Factor 3. Concern on climate change: environmental issues consequences on climate change awareness, especially on a global scale level, developing pro-environmental attitudes on global climate change course and sensitivity about behaviours aimed at mitigating such human impact. Factor 4. Social influence: social support seeking from peers. With RET, advice from significant others is looked for internalizing common perceived social norms of the national/geographical region. Factor 5. Impact on bill cost: inclination to adopt a RET when economic incentives from the behaviour perception affect the decision-making process could result in less expensive or unvaried bills. Linear regression has been conducted to identify and quantify the factors that could better predict behavioural intention to become a prosumer. An overall scale measuring “acceptance of a renewable energy solution” was used as the dependent variable, allowing us to quantify the five factors that contribute to measuring: awareness of environmental issues and climate change; environmental attitudes; social influence; and environmental risk perception. Three variables can significantly measure and predict the scores of the “Acceptance in becoming a prosumer” ad hoc scale. Variable 1. Attitude: the agreement to specific environmental issues and global climate change issues of concerns and evaluations towards a behavioural intention. Variable 2. Economic incentive: the perceived behavioural control and its related environmental risk perception, in terms of perceived short-term benefits and long-term costs, both part of the decision-making process as expected outcomes of the behaviour itself. Variable 3. Age: despite fewer economic possibilities, younger adults seem to be more sensitive to environmental dimensions and issues as opposed to older adults. This research can facilitate policymakers and relevant stakeholders to better understand which relevant psycho-sociological factors are intervening in these processes and what and how specifically target when proposing change towards sustainable energy production and consumption.

Keywords: behavioural intention, environmental risk perception, prosumer, renewable energy technology, social acceptance

Procedia PDF Downloads 135
6785 Thermal Behavior of the Extensive Green Roofs in Riyadh City

Authors: Ashraf Muharam, Nasser Al-Hemiddi, El Sayed Amer

Abstract:

Green roof is one of sustainable practice for reducing the environmental impact of a building. Green roofs are vegetation roofs that are partially or completely covered building's roof. It can provide multiple environmental benefits such as mitigation of urban heat island effect and protecting buildings against solar radiation. In Riyadh city buildings consume about 70 % of the total energy used in the building for cooling and heating because of the Riyadh's harsh and tropical climate. So, the study aim was identifying the thermal performance of extensive green roof and comparing its performance with concrete roof performance during summer season. The experimental validations results indicated that the extensive green roofs system was better than concrete roof system for lowering the indoor air temperature. It could reduce the indoor air temperature from 2°C to 5.5°C compared to the concrete roof system. Also, the finding of this study demonstrated that extensive green roof system could reduce 12% to 33% of energy consumption of air conditioning in Riyadh city during summer seasons by using environmentally friendly insulation.

Keywords: thermal performance, green roof system, concrete roof system, tropical climatic, internal temperatures

Procedia PDF Downloads 410
6784 Structural Fluxionality of Luminescent Coordination Compounds with Lanthanide Ions

Authors: Juliana A. B. Silva, Caio H. T. L. Albuquerque, Leonardo L. dos Santos, Cristiane K. Oliveira, Ivani Malvestiti, Fernando Hallwass, Ricardo L. Longo

Abstract:

Complexes with lanthanide ions have been extensively studied due to their applications as luminescent, magnetic and catalytic materials as molecular or extended crystals, thin films, glasses, polymeric matrices, ionic liquids, and in solution. NMR chemical shift data in solution have been reported and suggest fluxional structures in a wide range of coordination compounds with rare earth ions. However, the fluxional mechanisms for these compounds are still not established. This structural fluxionality may affect the photophysical, catalytic and magnetic properties in solution. Thus, understanding the structural interconversion mechanisms may aid the design of coordination compounds with, for instance, improved (electro)luminescence, catalytic and magnetic behaviors. The [Eu(btfa)₃bipy] complex, where btfa= 4,4,4-trifluoro-1-phenyl-1,3-butanedionate and bipy= 2,2’-bipiridyl, has a well-defined X-ray crystallographic structure and preliminary 1H NMR data suggested a structural fluxionality. Thus, we have investigated a series of coordination compounds with lanthanide ions [Ln(btfa)₃L], where Ln = La, Eu, Gd or Yb and L= bipy or phen (phen=1,10-phenanthroline) using a combined theoretical-experimental approach. These complexes were synthesized and fully characterized, and detailed NMR measurements were obtained. They were also studied by quantum chemical computational methods (DFT-PBE0). The aim was to determine the relevant factors in the structure of these compounds that favor or not the fluxional behavior. Measurements of the 1H NMR signals at variable temperature in CD₂Cl₂ of the [Eu(btfa)₃L] complexes suggest that these compounds have a fluxional structure, because the crystal structure has non-equivalent btfa ligands that should lead to non-equivalent hydrogen atoms and thus to more signals in the NMR spectra than those obtained at room temperature, where all hydrogen atoms of the btfa ligands are equivalent, and phen ligand has an effective vertical symmetry plane. For the [Eu(btfa)₃bipy] complex, the broadening of the signals at –70°C provides a lower bound for the coalescence temperature, which indicates the energy barriers involved in the structural interconversion mechanisms are quite small. These barriers and, consequently, the coalescence temperature are dependent upon the radii of the lanthanide ion as well as to their paramagnetic effects. The PBE0 calculated structures are in very good agreement with the crystallographic data and, for the [Eu(btfa)₃bipy] complex, this method provided several distinct structures with almost the same energy. However, the energy barrier for structural interconversion via dissociative pathways were found to be quite high and could not explain the experimental observations. Whereas the pseudo-rotation pathways, involving the btfa and bipy ligands, have very small activation barriers, in excellent agreement with the NMR data. The results also showed an increase in the activation barrier along the lanthanide series due to the decrease of the ionic radii and consequent increase of the steric effects. TD-DFT calculations showed a dependence of the ligand donor state energy with different structures of the complex [Eu(btfa)₃phen], which can affect the energy transfer rates and the luminescence. The energy required to promote the structural fluxionality may also enhance the luminescence quenching in solution. These results can aid in the design of more luminescent compounds and more efficient devices.

Keywords: computational chemistry, lanthanide-based compounds, NMR, structural fluxionality

Procedia PDF Downloads 201
6783 Integrated Genetic-A* Graph Search Algorithm Decision Model for Evaluating Cost and Quality of School Renovation Strategies

Authors: Yu-Ching Cheng, Yi-Kai Juan, Daniel Castro

Abstract:

Energy consumption of buildings has been an increasing concern for researchers and practitioners in the last decade. Sustainable building renovation can reduce energy consumption and carbon dioxide emissions; meanwhile, it also can extend existing buildings useful life and facilitate environmental sustainability while providing social and economic benefits to the society. School buildings are different from other designed spaces as they are more crowded and host the largest portion of daily activities and occupants. Strategies that focus on reducing energy use but also improve the students’ learning environment becomes a significant subject in sustainable school buildings development. A decision model is developed in this study to solve complicated and large-scale combinational, discrete and determinate problems such as school renovation projects. The task of this model is to automatically search for the most cost-effective (lower cost and higher quality) renovation strategies. In this study, the search process of optimal school building renovation solutions is by nature a large-scale zero-one programming determinate problem. A* is suitable for solving deterministic problems due to its stable and effective search process, and genetic algorithms (GA) provides opportunities to acquire global optimal solutions in a short time via its indeterminate search process based on probability. These two algorithms are combined in this study to consider trade-offs between renovation cost and improved quality, this decision model is able to evaluate current school environmental conditions and suggest an optimal scheme of sustainable school buildings renovation strategies. Through adoption of this decision model, school managers can overcome existing limitations and transform school buildings into spaces more beneficial to students and friendly to the environment.

Keywords: decision model, school buildings, sustainable renovation, genetic algorithm, A* search algorithm

Procedia PDF Downloads 124
6782 A Preliminary Study on the Effects of Lung Impact on Ballistic Thoracic Trauma

Authors: Amy Pullen, Samantha Rodrigues, David Kieser, Brian Shaw

Abstract:

The aim of the study was to determine if a projectile interacting with the lungs increases the severity of injury in comparison to a projectile interacting with the ribs or intercostal muscle. This comparative study employed a 10% gelatine based model with either porcine ribs or balloons embedded to represent a lung. Four sample groups containing five samples were evaluated; these were control (plain gel), intercostal impact, rib impact, and lung impact. Two ammunition natures were evaluated at a range of 10m; these were 5.56x45mm and 7.62x51mm. Aspects of projectile behavior were quantified including exiting projectile weight, location of yawing, projectile fragmentation and distribution, location and area of the temporary cavity, permanent cavity formation, and overall energy deposition. Major findings included the cavity showing a higher percentage of the projectile weight exit the block than the intercostal and ribs, but similar to the control for the 5.56mm ammunition. However, for the 7.62mm ammunition, the lung was shown to have a higher percentage of the projectile weight exit the block than the control, intercostal and ribs. The total weight of projectile fragments as a function of penetration depth revealed large fluctuations and significant intra-group variation for both ammunition natures. Despite the lack of a clear trend, both plots show that the lung leads to greater projectile fragments exiting the model. The lung was shown to have a later center of the temporary cavity than the control, intercostal and ribs for both ammunition types. It was also shown to have a similar temporary cavity volume to the control, intercostal and ribs for the 5.56mm ammunition and a similar temporary cavity to the intercostal for the 7.62mm ammunition The lung was shown to leave a similar projectile tract than the control, intercostal and ribs for both ammunition types. It was also shown to have larger shear planes than the control and the intercostal, but similar to the ribs for the 5.56mm ammunition, whereas it was shown to have smaller shear planes than the control but similar shear planes to the intercostal and ribs for the 7.62mm ammunition. The lung was shown to have less energy deposited than the control, intercostal and ribs for both ammunition types. This comparative study provides insights into the influence of the lungs on thoracic gunshot trauma. It indicates that the lungs limits projectile deformation and causes a later onset of yawing and subsequently limits the energy deposited along the wound tract creating a deeper and smaller cavity. This suggests that lung impact creates an altered pattern of local energy deposition within the target which will affect the severity of trauma.

Keywords: ballistics, lung, trauma, wounding

Procedia PDF Downloads 174
6781 Environmentally Sustainable Transparent Wood: A Fully Green Approach from Bleaching to Impregnation for Energy-Efficient Engineered Wood Components

Authors: Francesca Gullo, Paola Palmero, Massimo Messori

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Transparent wood is considered a promising structural material for the development of environmentally friendly, energy-efficient engineered components. To obtain transparent wood from natural wood materials two approaches can be used: i) bottom-up and ii) top-down. Through the second method, the color of natural wood samples is lightened through a chemical bleaching process that acts on chromophore groups of lignin, such as the benzene ring, quinonoid, vinyl, phenolics, and carbonyl groups. These chromophoric units form complex conjugate systems responsible for the brown color of wood. There are two strategies to remove color and increase the whiteness of wood: i) lignin removal and ii) lignin bleaching. In the lignin removal strategy, strong chemicals containing chlorine (chlorine, hypochlorite, and chlorine dioxide) and oxidizers (oxygen, ozone, and peroxide) are used to completely destroy and dissolve the lignin. In lignin bleaching methods, a moderate reductive (hydrosulfite) or oxidative (hydrogen peroxide) is commonly used to alter or remove the groups and chromophore systems of lignin, selectively discoloring the lignin while keeping the macrostructure intact. It is, therefore, essential to manipulate nanostructured wood by precisely controlling the nanopores in the cell walls by monitoring both chemical treatments and process conditions, for instance, the treatment time, the concentration of chemical solutions, the pH value, and the temperature. The elimination of wood light scattering is the second step in the fabrication of transparent wood materials, which can be achieved through two-step approaches: i) the polymer impregnation method and ii) the densification method. For the polymer impregnation method, the wood scaffold is treated with polymers having a corresponding refractive index (e.g., PMMA and epoxy resins) under vacuum to obtain the transparent composite material, which can finally be pressed to align the cellulose fibers and reduce interfacial defects in order to have a finished product with high transmittance (>90%) and excellent light-guiding. However, both the solution-based bleaching and the impregnation processes used to produce transparent wood generally consume large amounts of energy and chemicals, including some toxic or pollutant agents, and are difficult to scale up industrially. Here, we report a method to produce optically transparent wood by modifying the lignin structure with a chemical reaction at room temperature using small amounts of hydrogen peroxide in an alkaline environment. This method preserves the lignin, which results only deconjugated and acts as a binder, providing both a strong wood scaffold and suitable porosity for infiltration of biobased polymers while reducing chemical consumption, the toxicity of the reagents used, polluting waste, petroleum by-products, energy and processing time. The resulting transparent wood demonstrates high transmittance and low thermal conductivity. Through the combination of process efficiency and scalability, the obtained materials are promising candidates for application in the field of construction for modern energy-efficient buildings.

Keywords: bleached wood, energy-efficient components, hydrogen peroxide, transparent wood, wood composites

Procedia PDF Downloads 59
6780 A Middleware Management System with Supporting Holonic Modules for Reconfigurable Management System

Authors: Roscoe McLean, Jared Padayachee, Glen Bright

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There is currently a gap in the technology covering the rapid establishment of control after a reconfiguration in a Reconfigurable Manufacturing System. This gap involves the detection of the factory floor state and the communication link between the factory floor and the high-level software. In this paper, a thin, hardware-supported Middleware Management System (MMS) is proposed and its design and implementation are discussed. The research found that a cost-effective localization technique can be combined with intelligent software to speed up the ramp-up of a reconfigured system. The MMS makes the process more intelligent, more efficient and less time-consuming, thus supporting the industrial implementation of the RMS paradigm.

Keywords: intelligent systems, middleware, reconfigurable manufacturing, management system

Procedia PDF Downloads 681
6779 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

Abstract:

In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

Procedia PDF Downloads 542